N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C10H10F3N3S2 — CID 114448623

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(CNc2nnc(C(F)(F)F)s2)sc1C
InChIInChI=1S/C10H10F3N3S2/c1-5-3-7(17-6(5)2)4-14-9-16-15-8(18-9)10(11,12)13/h3H,4H2,1-2H3,(H,14,16)
InChIKeyRAHQVQZXPGEUTM-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.85
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448623) has the molecular formula C10H10F3N3S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448623
Molecular FormulaC10H10F3N3S2
Molecular Weight293.34 g/mol
Exact Mass293.03
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(CNc2nnc(C(F)(F)F)s2)sc1C
InChIInChI=1S/C10H10F3N3S2/c1-5-3-7(17-6(5)2)4-14-9-16-15-8(18-9)10(11,12)13/h3H,4H2,1-2H3,(H,14,16)
InChIKeyRAHQVQZXPGEUTM-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448623) is N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cc1cc(CNc2nnc(C(F)(F)F)s2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RAHQVQZXPGEUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3S2/c1-5-3-7(17-6(5)2)4-14-9-16-15-8(18-9)10(11,12)13/h3H,4H2,1-2H3,(H,14,16).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 293.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).